Geometry & MOs

Info

ID:	128583
PubChem CID:	51051326
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	1.83
IP(EA), eV:	-9.56(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethynyl-3-methoxy-2-(4-methoxyphenyl)pyrazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=NC(=C2CC#N)C)CC(C)C)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations